Compounds

ALA4295056

Name:
(R,E)-6-Acetyl-7,9-dihydroxy-2-(1-(2-(3-(2-methoxyethyl)-1,2,4-oxadiazol-5-Show More⌵

Mol. Formula:
C25H27N3O8

M.W.:
497.50

32 activity values

13 unique targets

Type:
Small molecule

AlogP:
1.97

Polar Surface Area:
161.08

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4294129

Name:
(R,E)-6-Acetyl-2-(1-(hexadecylamino)ethylidene)-7,9-dihydroxy-8,9b-dimethylShow More⌵

Mol. Formula:
C36H52N2O7

M.W.:
624.82

32 activity values

13 unique targets

Type:
Small molecule

AlogP:
6.76

Polar Surface Area:
142.03

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4294053

Name:
(R,E)-2-(1-(6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-1,9b-dihydrodibeShow More⌵

Mol. Formula:
C23H21N3O7S

M.W.:
483.50

32 activity values

13 unique targets

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
154.92

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4291637

Name:
(R,E)-2-(1-(6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-1,9b-dihydrodibeShow More⌵

Mol. Formula:
C20H22N2O8S

M.W.:
450.47

32 activity values

13 unique targets

Type:
Small molecule

AlogP:
0.45

Polar Surface Area:
173.09

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4288090

Name:
(R,E)-6-Acetyl-7,9-dihydroxy-2-(1-(2-(3-hydroxy-2-oxoquinoxalin-1(2H)-yl)etShow More⌵

Mol. Formula:
C28H25N3O8

M.W.:
531.52

32 activity values

13 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
168.05

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4287131

Name:
(R,E)-6-Acetyl-7,9-dihydroxy-2-(1-(2-(5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2Show More⌵

Mol. Formula:
C28H25N3O8

M.W.:
531.52

32 activity values

13 unique targets

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
172.08

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4283869

Name:
2-(2-((E)-1-((R)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-1,9b-dihydrShow More⌵

Mol. Formula:
C23H24N2O10

M.W.:
488.45

32 activity values

13 unique targets

Type:
Small molecule

AlogP:
-0.28

Polar Surface Area:
199.56

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4283780

Name:
(R,E)-2-(1-(6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-1,9b-dihydrodibeShow More⌵

Mol. Formula:
C28H25N3O8S

M.W.:
563.59

32 activity values

13 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
164.15

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4279967

Name:
(R,E)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-2-(1-(2-(3-methyl-1,2,4-oxadiazoShow More⌵

Mol. Formula:
C23H23N3O7

M.W.:
453.45

32 activity values

13 unique targets

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
151.85

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4278908

Name:
(R,E)-6-Acetyl-2-(1-((3-amino-1H-1,2,4-triazol-5-yl)-methylamino)ethylideneShow More⌵

Mol. Formula:
C21H21N5O6

M.W.:
439.43

32 activity values

13 unique targets

Type:
Small molecule

AlogP:
1.06

Polar Surface Area:
180.52

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4278017

Name:
(R,E)-6-Acetyl-2-(1-(3,4-dihydroxyphenethylamino)-ethylidene)-7,9-dihydroxyShow More⌵

Mol. Formula:
C26H25NO8

M.W.:
479.49

32 activity values

13 unique targets

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
153.39

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4277450

Name:
(R,E)-N-(2-(1-(6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-1,9b-dihydrodShow More⌵

Mol. Formula:
C22H24N2O7

M.W.:
428.44

32 activity values

13 unique targets

Type:
Small molecule

AlogP:
1.29

Polar Surface Area:
142.03

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS